(2R)-2-[4-(3-fluorobenzoyl)piperazin-1-yl]butanoic acid

C15H19FN2O3 — CID 129401472

IUPAC(2R)-2-[4-(3-fluorobenzoyl)piperazin-1-yl]butanoic acid
SMILESCC[C@H](C(=O)O)N1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C15H19FN2O3/c1-2-13(15(20)21)17-6-8-18(9-7-17)14(19)11-4-3-5-12(16)10-11/h3-5,10,13H,2,6-9H2,1H3,(H,20,21)/t13-/m1/s1
InChIKeyLAGPKQLBCYWNEB-CYBMUJFWSA-N
MW294.33 g/mol
LogP1.45
Rot. Bonds4

About (2R)-2-[4-(3-fluorobenzoyl)piperazin-1-yl]butanoic acid

(2R)-2-[4-(3-fluorobenzoyl)piperazin-1-yl]butanoic acid (PubChem CID 129401472) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is (2R)-2-[4-(3-fluorobenzoyl)piperazin-1-yl]butanoic acid.

Molecular Properties

Compound Name(2R)-2-[4-(3-fluorobenzoyl)piperazin-1-yl]butanoic acid
PubChem CID129401472
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name(2R)-2-[4-(3-fluorobenzoyl)piperazin-1-yl]butanoic acid
SMILESCC[C@H](C(=O)O)N1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C15H19FN2O3/c1-2-13(15(20)21)17-6-8-18(9-7-17)14(19)11-4-3-5-12(16)10-11/h3-5,10,13H,2,6-9H2,1H3,(H,20,21)/t13-/m1/s1
InChIKeyLAGPKQLBCYWNEB-CYBMUJFWSA-N
XLogP1.45
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
2-[4-(3-fluorobenzoyl)piperazin-1-yl]pentanenitrile
CID 63337908
(3-fluorophenyl)-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]methanone
CID 46100477
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 119710242
(3-fluorophenyl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone
CID 110365297
[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-(3-fluorophenyl)methanone
CID 764804
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110365289
2-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083234
(4-butan-2-ylpiperazin-1-yl)-(3-hydroxyphenyl)methanone
CID 55116787
(2R)-2-[4-[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl]piperazin-1-yl]butanoic acid
CID 129401574
(2R)-2-[4-[(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl]piperazin-1-yl]butanoic acid
CID 129401572

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(3-fluorobenzoyl)piperazin-1-yl]butanoic acid?
The IUPAC name of (2R)-2-[4-(3-fluorobenzoyl)piperazin-1-yl]butanoic acid (CID 129401472) is (2R)-2-[4-(3-fluorobenzoyl)piperazin-1-yl]butanoic acid.
What is the SMILES notation for (2R)-2-[4-(3-fluorobenzoyl)piperazin-1-yl]butanoic acid?
The canonical SMILES for (2R)-2-[4-(3-fluorobenzoyl)piperazin-1-yl]butanoic acid is CC[C@H](C(=O)O)N1CCN(C(=O)c2cccc(F)c2)CC1.
What is the InChIKey of (2R)-2-[4-(3-fluorobenzoyl)piperazin-1-yl]butanoic acid?
The InChIKey is LAGPKQLBCYWNEB-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-2-13(15(20)21)17-6-8-18(9-7-17)14(19)11-4-3-5-12(16)10-11/h3-5,10,13H,2,6-9H2,1H3,(H,20,21)/t13-/m1/s1.
What are the key properties of (2R)-2-[4-(3-fluorobenzoyl)piperazin-1-yl]butanoic acid?
(2R)-2-[4-(3-fluorobenzoyl)piperazin-1-yl]butanoic acid has a molecular weight of 294.33 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(3-fluorobenzoyl)piperazin-1-yl]butanoic acid is sourced from PubChem (CID 129401472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).